ergo
|
#include <basisset.h>
Public Attributes | |
int | type |
int | contrCount |
int | shell_ID |
ergo_real | exponentList [MAX_NO_OF_CONTR] |
ergo_real | coeffList [MAX_NO_OF_CONTR] |
ergo_real basisset_shell_struct::coeffList[MAX_NO_OF_CONTR] |
Referenced by read_basisset_file(), remove_zeros(), and setup_shells_multi_basis().
int basisset_shell_struct::contrCount |
Referenced by read_basisset_file(), remove_zeros(), and setup_shells_multi_basis().
ergo_real basisset_shell_struct::exponentList[MAX_NO_OF_CONTR] |
Referenced by read_basisset_file(), remove_zeros(), and setup_shells_multi_basis().
int basisset_shell_struct::shell_ID |
Referenced by read_basisset_file(), and setup_shells_multi_basis().
int basisset_shell_struct::type |
Referenced by read_basisset_file(), and setup_shells_multi_basis().